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N-(3-Trifluoromethylbenzyl)-4-chlorobenzylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(3-Trifluoromethylbenzyl)-4-chlorobenzylamine
SpectraBase Compound ID 8B2cRS7RuE2
InChI InChI=1S/C15H13ClF3N/c16-14-6-4-11(5-7-14)9-20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2
InChIKey MCSZGNQAUKWADF-UHFFFAOYSA-N
Mol Weight 299.72 g/mol
Molecular Formula C15H13ClF3N
Exact Mass 299.068862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Detriz8Ya7J
Name N-(3-Trifluoromethylbenzyl)-4-chlorobenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.068861612 u
Formula C15H13ClF3N
InChI InChI=1S/C15H13ClF3N/c16-14-6-4-11(5-7-14)9-20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2
InChIKey MCSZGNQAUKWADF-UHFFFAOYSA-N
Molecular Weight 299.724 g/mol
SMILES C=1(C(F)(F)F)C=C(CNCC=2C=CC(=CC2)Cl)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915488